Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics

doi:10.1016/j.phymed.2018.03.010

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	Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics
	Hou, Jin-Jun2 ; Cao, Chun-Mei 1; Xu, Yong-wei 3; Yao, Shuai 2; Cai, Lu-Ying 2; Long, Hua-li 2; Bi, Qi-Rui 2; Zhen, Yuan-Yuan 2; Wu, Wan-Ying2 ; Guo, De-an2
刊名	PHYTOMEDICINE
	2018-06-01
卷号	45 页码:1-7
关键词	Quality marker Coicis semen Triglyceride Diglyceride Ultra-performance convergence chromatography Quadrupole/time-of-flight hybrid mass spectrometry
ISSN号	0944-7113
DOI	10.1016/j.phymed.2018.03.010
文献子类	Article
英文摘要	Background: Lipids, a group of primary metabolites, could be used as quality markers of Traditional Chinese medicine. Purpose: The present study was designed to develop a research method to explore lipid markers of the quality of coix seeds with different geographical origins. Study Design: The geographical origins of coix seeds were divided into three regions based on the latitude. A central composite design (CCD test) was used to optimize the chromatographic parameters of supercritical fluid chromatography to obtain optimal lipid profile of coix seed. Methods: An untargeted method based on ultra-performance convergence chromatography - quadrupole/time-of-flight hybrid mass spectrometry (UPC2-QTOF) was developed. Four chromatographic parameters were optimized using CCD test, and a fusion index established by Derringer function was used to evaluate. The lipid profile of 27 batches of coix seeds were acquired and processed by Progenesis QI software, and the MS/MS spectrums were obtained to identify, simultaneously. The difference lipids were explored by orthogonal partial least squares discriminant analysis (OPLS-DA). The lipids that showed differences depending on their seeds' geographical origin were selected as markers of the quality of coix seeds from the three regions. Results: A Torus 2-PIC (1.7 mu m, 100 mm x 3.0 mm) was selected as the optimal column of the untargeted method which the run time was only 8 minutes. From the CCD test, the interaction of chromatographic parameters between column temperature and backpressure was founded which the optimal parameters were 55 degrees C and 2600 psi, respectively. Thirty-two peaks in the lipid profile of coix seed were tentatively identified, of which 20 were triglyceride, and 12 were diglyceride. Nine features that could potentially be used to distinguish the coix seeds by their geographical origin were identified, most of which were diglycerides, such as OP. Conclusions: Our findings confirm that UPC2-QTOF combined with chemometrics could be used as an efficient method for exploring potential lipid markers of the quality of herbal medicine.
资助项目	National Natural Science Foundation of China[81403097] ; Special Scientific Research in the Chinese Medicine Industry of State Administration of Traditional Chinese Medicine[201307002] ; National Science and Technology Major Project for Major Drug Development[2014ZX09304-307-001-007] ; National Standardization of Traditional Chinese Medicine Project[ZYBZH-K-LN-01] ; Study on International Standardization of Traditional Chinese Medicine[GZYYGJ2017024]
WOS关键词	PERFORMANCE CONVERGENCE CHROMATOGRAPHY ; METABOLOMICS ; SEPARATION
WOS研究方向	Plant Sciences ; Pharmacology & Pharmacy ; Integrative & Complementary Medicine
语种	英语
出版者	ELSEVIER GMBH, URBAN & FISCHER VERLAG
WOS记录号	WOS:000434392300001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/279731]
专题	上海中药现代化研究中心
通讯作者	Wu, Wan-Ying; Guo, De-an
作者单位	1.Univ Sci & Technol China, Nano Sci & Technol Inst, Suzhou 215123, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai 201203, Peoples R China; 3.Waters Corp, Shanghai 201206, Peoples R China
推荐引用方式 GB/T 7714	Hou, Jin-Jun,Cao, Chun-Mei,Xu, Yong-wei,et al. Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics[J]. PHYTOMEDICINE,2018,45:1-7.
APA	Hou, Jin-Jun.,Cao, Chun-Mei.,Xu, Yong-wei.,Yao, Shuai.,Cai, Lu-Ying.,...&Guo, De-an.(2018).Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics.PHYTOMEDICINE,45,1-7.
MLA	Hou, Jin-Jun,et al."Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics".PHYTOMEDICINE 45(2018):1-7.